bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfanium; methanesulfonate

Systemtic Name: bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfanium; methanesulfonate Openeye Name: bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfonium; methanesulfonate CAS Name: bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfonium; methanesulfonate IUPAC Name: bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfanium; methanesulfonate Traditional Name: bis(4-butoxyphenyl)-(4-phenoxyphenyl)sulfonium mesylate Formula: C33H38O6S2 MolecularWeight: 594.78122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCC)C3=CC=C(C=C3)OC4=CC=CC=C4.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCC)C3=CC=C(C=C3)OC4=CC=CC=C4.CS(=O)(=O)[O-]

InChI

InChI=1S/C32H35O3S.CH4O3S/c1-3-5-24-33-26-12-18-30(19-13-26)36(31-20-14-27(15-21-31)34-25-6-4-2)32-22-16-29(17-23-32)35-28-10-8-7-9-11-28;1-5(2,3)4/h7-23H,3-6,24-25H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1